[(E,4S)-4-[(2S)-2-acetyloxy-2-phenyl-ethanoyl]oxy-6-cyano-hex-5-enyl] 2,2-dimethylpropanoate

Systemtic Name: [(E,4S)-4-[(2S)-2-acetyloxy-2-phenyl-ethanoyl]oxy-6-cyano-hex-5-enyl] 2,2-dimethylpropanoate Openeye Name: [(E,4S)-4-[(2S)-2-acetoxy-2-phenyl-acetyl]oxy-6-cyano-hex-5-enyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(E,4S)-4-[(2S)-2-acetyloxy-1-oxo-2-phenylethoxy]-6-cyanohex-5-enyl] ester IUPAC Name: [(E,4S)-4-[(2S)-2-acetyloxy-2-phenylacetyl]oxy-6-cyanohex-5-enyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(E,4S)-4-[(2S)-2-acetoxy-2-phenyl-acetyl]oxy-6-cyano-hex-5-enyl] ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC=CC=C1)C(=O)OC(CCCOC(=O)C(C)(C)C)C=CC#N

Isomeric SMILES

CC(=O)O[C@@H](C1=CC=CC=C1)C(=O)O[C@@H](CCCOC(=O)C(C)(C)C)/C=C/C#N

InChI

InChI=1S/C22H27NO6/c1-16(24)28-19(17-10-6-5-7-11-17)20(25)29-18(12-8-14-23)13-9-15-27-21(26)22(2,3)4/h5-8,10-12,18-19H,9,13,15H2,1-4H3/b12-8+/t18-,19+/m1/s1